[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol

C19H21FO3S — CID 19382467

IUPAC[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol
SMILESCOC1(c2cc(F)cc(Sc3ccc(CO)cc3)c2)CCOCC1
InChIInChI=1S/C19H21FO3S/c1-22-19(6-8-23-9-7-19)15-10-16(20)12-18(11-15)24-17-4-2-14(13-21)3-5-17/h2-5,10-12,21H,6-9,13H2,1H3
InChIKeyDIFLTOGVDWWCHV-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.12
Rot. Bonds5

About [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol

[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol (PubChem CID 19382467) has the molecular formula C19H21FO3S and a molecular weight of 348.44 g/mol. Its IUPAC name is [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol
PubChem CID19382467
Molecular FormulaC19H21FO3S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol
SMILESCOC1(c2cc(F)cc(Sc3ccc(CO)cc3)c2)CCOCC1
InChIInChI=1S/C19H21FO3S/c1-22-19(6-8-23-9-7-19)15-10-16(20)12-18(11-15)24-17-4-2-14(13-21)3-5-17/h2-5,10-12,21H,6-9,13H2,1H3
InChIKeyDIFLTOGVDWWCHV-UHFFFAOYSA-N
XLogP4.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(p-tolylthio)phenyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 9928933
(2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)-2-(4-fluorophenyl)-tetrahydro-3,4-diphenyl-2H-pyran-4-ol
CID 46220730
(2S*,4R*,6R*)-2-((Ethylthio)methyl)tetrahydro-4,6-diphenyl-2H-pyran-4-ol
CID 46224069
(2S*,4R*,6R*)-2-((Ethylthio)methyl)-6-(4-fluorophenyl)tetrahydro-4-phenyl-2H-pyran-4-ol
CID 46224071
(2R*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-4-phenyl-6-(thiocyanatomethyl)-2H-pyran-4-ol
CID 46224072
(NE)-N-[1-[4-[3-fluoro-5-[(2S,4R)-4-methoxy-2-methyloxan-4-yl]phenyl]sulfanylphenyl]ethylidene]hydroxylamine
CID 18654022
1-(4-Fluorophenyl)-4-[(4-methylsulfanylphenyl)methoxy]but-2-yn-1-ol
CID 56968616
[6-(4-Fluorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate
CID 54612774
2-(Ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol
CID 54612775
6-(Ethylsulfanylmethyl)-2-(4-fluorophenyl)-3,4-diphenyloxan-4-ol
CID 54613758
2-Methyl-2-(2-methyl-4-phenylsulfanylphenyl)oxetane
CID 134965463
4-[3-[4-[(4-Fluorophenyl)methyl]phenyl]sulfanylphenyl]-4-methoxyoxane
CID 9866168

Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol?
The IUPAC name of [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol (CID 19382467) is [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol is COC1(c2cc(F)cc(Sc3ccc(CO)cc3)c2)CCOCC1.
What is the InChIKey of [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol?
The InChIKey is DIFLTOGVDWWCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO3S/c1-22-19(6-8-23-9-7-19)15-10-16(20)12-18(11-15)24-17-4-2-14(13-21)3-5-17/h2-5,10-12,21H,6-9,13H2,1H3.
What are the key properties of [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol?
[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol has a molecular weight of 348.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 19382467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).